634
  Mrv0541 02231214502D          

 14 14  0  0  0  0            999 V2000
    2.4751    0.7466    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041    1.5717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.5717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.5534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  4 13  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00634

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)

> <INCHI_KEY>
SKIVFJLNDNKQPD-UHFFFAOYSA-N

> <FORMULA>
C8H10N2O3S

> <MOLECULAR_WEIGHT>
214.242

> <EXACT_MASS>
214.041212886

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9980095487305171

> <JCHEM_AVERAGE_POLARIZABILITY>
20.491204809579244

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(4-aminobenzenesulfonyl)acetamide

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
-0.2610410626666669

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.299983698566217

> <JCHEM_PKA_STRONGEST_BASIC>
2.1375402711797

> <JCHEM_POLAR_SURFACE_AREA>
89.26

> <JCHEM_REFRACTIVITY>
52.482200000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.21e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00634

> <SECONDARY_ACCESSION_NUMBERS>
APRD00452

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Sulfacetamide

> <SYNONYMS>
Acetosulfamine; N-((p-Aminophenyl)sulfonyl)acetamide; N-(p-Aminobenzenesulfonyl)acetamide; N-[(p-Aminophenyl)sulfonyl]acetamide; N-Acetyl-4-aminobenzenesulfonamide; N-Acetylsulfanilamide; N-Sulfanilylacetamide; N-Sulphanilylacetamide; N'-acetylsulfanilamide; N(1)-Acetyl-4-aminophenylsulfonamide; N(1)-Acetylsulfanilamide; p-Aminobenzenesulfonacetamide; p-Aminobenzenesulfonoacetamide; Sulfacetamid; Sulfacetamida; Sulfacétamide; Sulfacetamide; Sulfacetamidum; Sulfanilazetamid; Sulphacetamide; Sulphacetamidum

> <PRODUCTS>
Avar; Avar Cleansing Pads; Avar LS; Avar LS Cleansing Pads; Avar Ls; Avar-e; Avar-e Green; Avar-e LS; BP Cleansing Wash; Balsulph Oph Liq 10.0%; Balsulph Oph Ont 10.0%; Bleph 10 Dps; Bleph-10; Blephamide; Blephamide S.O.P.; Cerisa; Cetamide; Cetamide Ont 10%; Clarifoam EF; Claris; Clenia; Clenia Plus Sodium Sulfacetamide - Sulfur; Clindamycin 1% / Sodium Sulfacetamide Monohydrate 5% / Tretinoin 0.025%; Dioptimyd Ointment; Exact-Rx SODIUM SULFACETAMIDE and SULFER 10%/5% Cleanser; Exact-Rx Sodium Sulfacetamide Wash 10%; FML-S; Gyne-Sulf; Isopto Cetamide; Klaron; Metimyd Oph Sus; Niacinamide 4% / Sodium Sulfacetamide Monohydrate 10%; Niacinamide 4% / Sodium Sulfacetamide Monohydrate 10% / Sulfur Precipitated 2%; Niacinamide 4% / Sodium Sulfacetamide Monohydrate 15%; OVACE Plus; Odan-cide; Odan-sulfacetamide; Ophtho-sulf Liq 10%; Ovace; Ovace Plus; OvacePlus Plus; PMS-sulfacetamide Sod Oph Soln 30%; PMS-sulfacetamide Sodium Liq 10%; Perrigo Seb Prev; Perrigo Sodium Sulfacetamide and Sulfur; Plexion; Plexion Cleanser; Plexion Cleansing; Plexion NS; Plexion SCT; Prascion Cleanser; Prascion FC; Prascion RA; Prascion RA Cream with Sunscreens; Prascion TS; Prednisolone/sulfacetamide; ROSANIL Cleanser; Re 10 Wash; Rosaderm; Rosanil; Rosula; Rosula Wash; SODIUM SULFACETAMIDE 10% AND SULFUR 5% Emollient Cream; SODIUM SULFACETAMIDE and SULFUR; SODIUM SULFACETAMIDE and SULFUR Wash; SSS cleanser; Salicylic Acid 2% / Sodium Sulfacetamide Monohydrate 8%; Salicylic Acid 2% /sodium Sulfacetamide Monohydrate 8%; Salicylic Acid 5% / Sodium Sulfacetamide Monohydrate 10%; Se 10-5 Ss; Seb Prev Wash; Sodium Sulamyd 10%; Sodium Sulamyd Oph Dps 30%; Sodium Sulamyd Oph Ont 10%; Sodium Sulfacetamide; Sodium Sulfacetamide - Sulfur Cleansing Pads; Sodium Sulfacetamide - Sulfur Wash; Sodium Sulfacetamide 10 % and Sulfur 2 % Cleanser; Sodium Sulfacetamide 10 % and Sulfur 5 % Cleanser; Sodium Sulfacetamide 10 Sulfur 2 Cleanser; Sodium Sulfacetamide 10 Sulfur 2 cream; Sodium Sulfacetamide 10 Sulfur 5; Sodium Sulfacetamide 10 Sulfur 5 Cleanser; Sodium Sulfacetamide 10 and Sulfur 5; Sodium Sulfacetamide 10% and Sulfur 2% Cleanser; Sodium Sulfacetamide 10% and Sulfur 5% Cleanser; Sodium Sulfacetamide 10% and Sulfur 5% Emollient Foam; Sodium Sulfacetamide 10%, Sulfur 2%; Sodium Sulfacetamide 8% and Sulfur 4%; Sodium Sulfacetamide 8% and Sulfur 4% Cleanser; Sodium Sulfacetamide 9 Sulfur 4.5 Wash; Sodium Sulfacetamide 9% - Sulfur 4%; Sodium Sulfacetamide 9% - Sulfur 4.5% Wash; Sodium Sulfacetamide 9% and Sulfur 4% Cleanser; Sodium Sulfacetamide 9% and Sulfur 4.5% Cleanser; Sodium Sulfacetamide 9% and Sulfur 4.5% Wash; Sodium Sulfacetamide 9.8 % and Sulfur 4.8 % Cleanser; Sodium Sulfacetamide 9.8% and Sulfur 4.8%; Sodium Sulfacetamide 9.8% and Sulfur 4.8% Cleanser; Sodium Sulfacetamide 9.8% and Sulfur 4.8% Cream; Sodium Sulfacetamide 9.8%, Sulfur 4.8%; Sodium Sulfacetamide Sulfur; Sodium Sulfacetamide Wash; Sodium Sulfacetamide Wash 10%; Sodium Sulfacetamide and Sulfur; Sodium Sulfacetamide and Sulfur 10 Percent and 2 Percent Cleanser; Sodium Sulfacetamide and Sulfur 10 Percent and 5 Percent Cleanser; Sodium Sulfacetamide and Sulfur Aqueous; Sodium Sulfacetamide and Sulfur Aqueous Cleanser; Sodium Sulfacetamide and Sulfur Clarifying Wash in a Urea Vehicle; Sodium Sulfacetamide and Sulfur Cleanser; Sodium Sulfacetamide and Sulfur External Cream; Sodium Sulfacetamide and Sulfur External Liquid; Sodium Sulfacetamide, Sulfur; Sodium sulfacetamide; Sulf 10; SulfaCleanse 8/4; Sulfacet R Lotion; Sulfacet-R; Sulfacetamide; Sulfacetamide Sodium; Sulfacetamide Sodium Sulfur; Sulfacetamide Sodium and Prednisolone Sodium Phosphate; Sulfacetamide Sodium and Sulfur; Sulfacetamide Sodium, Sulfur; Sulfatol; Sulfatol 10-4 Cleansing pads; Sulfatol C; Sulfatol Cleanser; Sulfatol SS; Sulfex 10%; Sulfix; Sumadan; Sumadan Wash; Sumadan Xlt; Sumaxin CP; Sumaxin Cleansing Pads; Sumaxin TS; Sumaxin Wash; Topisulf; Triple Sulfa; Vasocidin; Vasocidin Ophthalmic Solution; Vasosulf Oph Soln; Virti-SULF; ZMA CLEAR Sodium Sulfacetamide 9% and Sulfur 4.5%; Zencia Wash

> <INTERNATIONAL_BRANDS>
Acetopt; Albucid; Anginamide; Antebor; Apisulfa; Blef-10; Bleph; Cetazin; Oftasul; Optal; Riacetamid; Sulfacil; Sulphacalyre; Unisulf

> <SALTS>
Sulfacetamide sodium

$$$$